Information card for entry 1508641

Structure parameters

• Formula: C27 H19 Br N2 O2
• Calculated formula: C27 H19 Br N2 O2
• SMILES: Brc1ccc(C(=O)N2C(=O)[C@@](Nc3ccccc3)(c3ccccc23)c2ccccc2)cc1
• Title of publication: Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.
• Authors of publication: Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4810 - 4813
• a: 12.5078 ± 0.0003 Å
• b: 9.4222 ± 0.0002 Å
• c: 18.6676 ± 0.0006 Å
• α: 90°
• β: 94.411 ± 0.001°
• γ: 90°
• Cell volume: 2193.48 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No